Geometry & MOs

Info

ID:

436893

PubChem CID:

135212704

Reduced:

N3H25C36 (1)

Stoich.:

A3B25C36 (1)

Weight, g/mol:

625.215412

ΔHf, kcal/mol:

171.82

Dipole, Da:

1.0

IP(EA), eV:

 -8.05(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-(6-phenyldibenzofuran-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N4C5=CC=CC=C5C6=C4N=C7N6C8=CC=CC=C8C9=CC=CC=C97)C

DOS

IR

Vibrations